Geometry & MOs

Info

ID:	422549
PubChem CID:	135118022
Reduced:	O3N4C22H26 (1)
Stoich.:	A3B4C22D26 (1)
Weight, g/mol:	372.179755
ΔH_f, kcal/mol:	-71.95
Dipole, Da:	6.6
IP(EA), eV:	-9.53(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1S,5R)-7-[3-(1H-benzimidazol-2-yl)propanoyl]-3-oxa-7,9-diazabicyclo[3.3.2]decan-9-yl]acetic acid

Drug info:

PubChemData

Smile

C1CN(CCC1C(=O)N[C@H]2COC[C@H]2CC3=CC=NC=C3)C(=O)C4=CC=CC=N4

DOS

IR

Vibrations