Geometry & MOs

Info

ID:	421128
PubChem CID:	135115415
Reduced:	N3O4C14H17 (1)
Stoich.:	A3B4C14D17 (1)
Weight, g/mol:	399.215806
ΔH_f, kcal/mol:	-60.3
Dipole, Da:	3.5
IP(EA), eV:	-9.9(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,4R)-3-(cyclopropylmethyl)-1-[3-(2-ethylbenzimidazol-1-yl)propanoyl]-4-hydroxypiperidine-3-carboxylic acid

Drug info:

PubChemData

Smile

CC1=NOC(=C1)C[C@@H]2CN(C[C@@H]2O)C(=O)C3=CC(=NO3)C

DOS

IR

Vibrations