Geometry & MOs

Info

ID:	271065
PubChem CID:	103642450
Reduced:	O2N3C16H21 (1)
Stoich.:	A2B3C16D21 (1)
Weight, g/mol:	196.157563
ΔH_f, kcal/mol:	-65.8
Dipole, Da:	5.2
IP(EA), eV:	-8.52(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[3-(cyclopropylmethoxy)propylamino]butanenitrile

Drug info:

PubChemData

Smile

CNC(=O)CCN(C)C(=O)CCC1=CNC2=CC=CC=C21

DOS

IR

Vibrations