Geometry & MOs

Info

ID:	172556
PubChem CID:	75524657
Reduced:	O2N3C10H11 (2)
Stoich.:	A2B3C10D11 (2)
Weight, g/mol:	324.158626
ΔH_f, kcal/mol:	2.84
Dipole, Da:	13.02
IP(EA), eV:	-8.96(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(3-cyanopropoxy)pyridin-2-yl]-3-[(2-methylphenyl)methyl]urea

Drug info:

PubChemData

Smile

C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NC3=C(C=CC=N3)OCCCC#N

DOS

IR

Vibrations