Geometry & MOs

Info

ID:	177718
PubChem CID:	76220799
Reduced:	ON2C10H16 (1)
Stoich.:	AB2C10D16 (1)
Weight, g/mol:	176.094963
ΔH_f, kcal/mol:	-37.58
Dipole, Da:	4.45
IP(EA), eV:	-8.46(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1-amino-3-hydroxypropyl)benzonitrile

Drug info:

PubChemData

Smile

CCC1=CC(=C(C=C1)O)C(CN)N

DOS

IR

Vibrations