Geometry & MOs

Info

ID:	150035
PubChem CID:	53789720
Reduced:	N3O3C23H31 (1)
Stoich.:	A3B3C23D31 (1)
Weight, g/mol:	190.172151
ΔH_f, kcal/mol:	-111.11
Dipole, Da:	6.85
IP(EA), eV:	-8.74(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3,3-trimethylpentylbenzene

Drug info:

PubChemData

Smile

CC1(CCC(C2=C1C=CC(=C2)C(C(=O)N(C)C3=CC=C(N3)C(=O)OC)N)(C)C)C

DOS

IR

Vibrations