Geometry & MOs

Info

ID:	332062
PubChem CID:	127250348
Reduced:	O4N5H23C24 (1)
Stoich.:	A4B5C23D24 (1)
Weight, g/mol:	446.150954
ΔH_f, kcal/mol:	-68.78
Dipole, Da:	2.19
IP(EA), eV:	-8.84(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(1H-benzimidazol-2-yl)-1-[2-[5-(3-chlorophenyl)pyridin-2-yl]morpholin-4-yl]propan-1-one

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)OC(=O)N2CC(=O)N3CCOC(C3)C4=NC=C(C=C4)C5=CN=C(C=C5)N

DOS

IR

Vibrations