Geometry & MOs

Info

ID:	258461
PubChem CID:	103154209
Reduced:	NOC6H12 (2)
Stoich.:	ABC6D12 (2)
Weight, g/mol:	222.136828
ΔH_f, kcal/mol:	-122.39
Dipole, Da:	3.95
IP(EA), eV:	-9.46(1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-3-methoxy-N-(3-methylphenyl)butanamide

Drug info:

PubChemData

Smile

CC1CCC(CC1)NC(=O)CC(CN)OC

DOS

IR

Vibrations