Geometry & MOs

Info

ID:	415283
PubChem CID:	135088275
Reduced:	O2N3C19H21 (2)
Stoich.:	A2B3C19D21 (2)
Weight, g/mol:	356.173607
ΔH_f, kcal/mol:	-48.05
Dipole, Da:	8.96
IP(EA), eV:	-8.81(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R,4S)-4-benzyl-1-(1,2-dimethylpyrrole-3-carbonyl)-3-hydroxypiperidine-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CCN(CCCN([C@H]2C[C@@H](C(=O)NC1)N(C2)C(=O)C3=CC4=C(C=C3)OCC4)C(=O)C5=CC=CC=C5)CC6=CC(=CC=C6)N7C=CC=N7

DOS

IR

Vibrations