Geometry & MOs

Info

ID:	188790
PubChem CID:	77766285
Reduced:	N3O9C25H35 (1)
Stoich.:	A3B9C25D35 (1)
Weight, g/mol:	276.183778
ΔH_f, kcal/mol:	-364.68
Dipole, Da:	3.6
IP(EA), eV:	-8.41(-0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-(2-phenylethyl)-N-propanoylpentanamide

Drug info:

PubChemData

Smile

CC(=O)OC(C(=O)C(CC1=CC=C(C=C1)OC)N)(C(=O)OC(C)(C)C)N2CCNC(C2=O)CC(=O)OC

DOS

IR

Vibrations