Geometry & MOs

Info

ID:	415442
PubChem CID:	135088436
Reduced:	N5C16H21 (1)
Stoich.:	A5B16C21 (1)
Weight, g/mol:	379.200825
ΔH_f, kcal/mol:	62.03
Dipole, Da:	1.91
IP(EA), eV:	-9.3(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3S,4R)-3-hydroxy-4-(pyrazin-2-ylmethyl)pyrrolidin-1-yl]-2-(2-propan-2-ylbenzimidazol-1-yl)ethanone

Drug info:

PubChemData

Smile

CC1=NC=C2CCC3(C2=N1)CCCN(C3)CC4=CC=NN4

DOS

IR

Vibrations