Geometry & MOs

Info

ID:	258547
PubChem CID:	103154876
Reduced:	N3O4C12H17 (1)
Stoich.:	A3B4C12D17 (1)
Weight, g/mol:	250.168128
ΔH_f, kcal/mol:	-79.54
Dipole, Da:	7.01
IP(EA), eV:	-9.84(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC(CC(=O)NCC1=CC=C(C=C1)[N+](=O)[O-])CN

DOS

IR

Vibrations