Geometry & MOs

Info

ID:	290411
PubChem CID:	104472195
Reduced:	N2O2C17H20 (1)
Stoich.:	A2B2C17D20 (1)
Weight, g/mol:	212.188863
ΔH_f, kcal/mol:	-44.63
Dipole, Da:	3.8
IP(EA), eV:	-8.82(-0.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-cycloheptyl-2-methylbutanamide

Drug info:

PubChemData

Smile

CC(C(C)N)C(=O)NC1=CC=CC=C1OC2=CC=CC=C2

DOS

IR

Vibrations