Geometry & MOs

Info

ID:	397360
PubChem CID:	135030108
Reduced:	C29H38 (1)
Stoich.:	A29B38 (1)
Weight, g/mol:	220.121178
ΔH_f, kcal/mol:	-7.78
Dipole, Da:	0.9
IP(EA), eV:	-8.51(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-nitrocycloheptyl)pyridine

Drug info:

PubChemData

Smile

CC1=CC(=CC2=CC=CC=C12)C3=C(C=C(C=C3C(C)(C)C)C(C)(C)C)C(C)(C)C

DOS

IR

Vibrations