Geometry & MOs

Info

ID:	416156
PubChem CID:	135089164
Reduced:	ClO2N3C15H18 (1)
Stoich.:	AB2C3D15E18 (1)
Weight, g/mol:	383.184506
ΔH_f, kcal/mol:	-60.01
Dipole, Da:	3.01
IP(EA), eV:	-9.48(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3R)-4-(1H-benzimidazol-2-ylmethyl)-3-(3,4-dimethoxyphenyl)morpholin-2-yl]methanol

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CCC(=O)N(CCO)CC2=NC=CN2)Cl

DOS

IR

Vibrations