Geometry & MOs

Info

ID:	331803
PubChem CID:	127250087
Reduced:	ClO2N4C24H27 (1)
Stoich.:	AB2C4D24E27 (1)
Weight, g/mol:	438.182254
ΔH_f, kcal/mol:	-27.25
Dipole, Da:	10.71
IP(EA), eV:	-8.7(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[6-[(3-chlorophenyl)methyl]pyridin-2-yl]morpholin-4-yl]-4-(2-methylimidazol-1-yl)butan-1-one

Drug info:

PubChemData

Smile

CC1=NC=CN1CCCC(=O)N2CCOC(C2)C3=CC=CC(=N3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations