Geometry & MOs

Info

ID:	298853
PubChem CID:	117661757
Reduced:	O2N3C25H33 (1)
Stoich.:	A2B3C25D33 (1)
Weight, g/mol:	387.194677
ΔH_f, kcal/mol:	-52.23
Dipole, Da:	8.14
IP(EA), eV:	-8.8(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-methylbutyl)-4-[[4-(6-methylpyridin-2-yl)phenyl]methoxy]-2-oxopyridine-3-carbonitrile

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CN2CCC(CC2)COC3=C(C(=O)N(C=C3)CCC(C)C)C#N

DOS

IR

Vibrations