Geometry & MOs

Info

ID:	421454
PubChem CID:	135116037
Reduced:	N3O3C20H27 (1)
Stoich.:	A3B3C20D27 (1)
Weight, g/mol:	421.21139
ΔH_f, kcal/mol:	-97.35
Dipole, Da:	7.09
IP(EA), eV:	-8.46(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]-(1-methyl-2-morpholin-4-ylbenzimidazol-5-yl)methanone

Drug info:

PubChemData

Smile

CC1CCN(CC1)CC2=CC=C(O2)C(=O)NCC3=C(C(=O)C(=CN3)C)C

DOS

IR

Vibrations