Geometry & MOs

Info

ID:	287996
PubChem CID:	104305954
Reduced:	NOC7H11 (2)
Stoich.:	ABC7D11 (2)
Weight, g/mol:	236.152478
ΔH_f, kcal/mol:	-96.82
Dipole, Da:	4.91
IP(EA), eV:	-8.9(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(butan-2-ylamino)-N-[4-(hydroxymethyl)phenyl]acetamide

Drug info:

PubChemData

Smile

CC(CCC(=O)NC1=CC=CC(=C1)CCCO)N

DOS

IR

Vibrations