Geometry & MOs

Info

ID:	331802
PubChem CID:	127250086
Reduced:	ClON4C20H21 (1)
Stoich.:	ABC4D20E21 (1)
Weight, g/mol:	438.182254
ΔH_f, kcal/mol:	33.53
Dipole, Da:	2.89
IP(EA), eV:	-9.03(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC(CN1CC2=NC=CN2)C3=CC=CC(=N3)CC4=CC=CC=C4Cl

DOS

IR

Vibrations