Geometry & MOs

Info

ID:	312681
PubChem CID:	126607293
Reduced:	N6C23H28 (1)
Stoich.:	A6B23C28 (1)
Weight, g/mol:	302.13789
ΔH_f, kcal/mol:	118.34
Dipole, Da:	2.34
IP(EA), eV:	-8.72(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4R)-4-[(4-cyanophenyl)carbamoylamino]-1-methylpiperidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CN=C1C=CC(=CC1=NC)C(=C)N[C@@H]2CCN(C(C2)C3=NC4=CC=CC=C4N3)C

DOS

IR

Vibrations