Geometry & MOs

Info

ID:	150101
PubChem CID:	53789787
Reduced:	N4O8C27H40 (1)
Stoich.:	A4B8C27D40 (1)
Weight, g/mol:	204.187801
ΔH_f, kcal/mol:	-373.25
Dipole, Da:	4.31
IP(EA), eV:	-9.54(-0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-heptan-3-yl-3,5-dimethylbenzene

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCCC(C(=O)N(C)C(=O)OC)NC(=O)C1CCCN1C(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations