Geometry & MOs

Info

ID:	442423
PubChem CID:	135251981
Reduced:	N3O7H81C83 (1)
Stoich.:	A3B7C81D83 (1)
Weight, g/mol:	210.117528
ΔH_f, kcal/mol:	-130.58
Dipole, Da:	0.54
IP(EA), eV:	-8.2(-2.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-1,3-dimethyl-5-pentylbenzene

Drug info:

Smile

CCC1=C(C(=CC=C1)C(C)C)N2C(=O)C3=CC(=C4C5=C(C=C6C7=C5C(=C(C=C7C(=O)N(C6=O)C8=C(C=CC=C8C(C)C)C(C)C)OC9=CC=CC=C9C(C)C)C1=C(C=C(C3=C41)C2=O)OC1=CC=CC=C1C(C)C)OC1=CC=CC=C1C(C)C)NC1=CC=CC=C1C(C)C

DOS

IR

Vibrations