Geometry & MOs

Info

ID:	205395
PubChem CID:	80094906
Reduced:	N2O2C17H30 (1)
Stoich.:	A2B2C17D30 (1)
Weight, g/mol:	219.162314
ΔH_f, kcal/mol:	-114.42
Dipole, Da:	2.22
IP(EA), eV:	-9.54(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3-aminocycloheptyl)methyl]phenol

Drug info:

PubChemData

Smile

CCC(CC)N1C(=O)C(NC(=O)C1(CC)CC)(C)C2CC2

DOS

IR

Vibrations