Geometry & MOs

Info

ID:	149001
PubChem CID:	53788672
Reduced:	N3O3H21C22 (1)
Stoich.:	A3B3C21D22 (1)
Weight, g/mol:	236.152478
ΔH_f, kcal/mol:	-36.27
Dipole, Da:	4.88
IP(EA), eV:	-8.82(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-aminopropyl)-4-(3-hydroxypropyl)benzamide

Drug info:

PubChemData

Smile

CC(C)OC(=O)C1=NC=C2C(=C1COC)C3=C(C=CC=C3N2)C4=CN=CC=C4

DOS

IR

Vibrations