Geometry & MOs

Info

ID:	336124
PubChem CID:	127255131
Reduced:	NOC5H5 (5)
Stoich.:	ABC5D5 (5)
Weight, g/mol:	379.212058
ΔH_f, kcal/mol:	-105.64
Dipole, Da:	5.73
IP(EA), eV:	-8.97(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]-[1-(tetrazol-1-yl)cyclohexyl]methanone

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CCC(=O)NCCN5C=CN=C5)OC

DOS

IR

Vibrations