Geometry & MOs

Info

ID:	245148
PubChem CID:	99437701
Reduced:	N3O4C25H27 (1)
Stoich.:	A3B4C25D27 (1)
Weight, g/mol:	433.200156
ΔH_f, kcal/mol:	-127.95
Dipole, Da:	6.84
IP(EA), eV:	-8.75(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-[[4-[[2-(7-methyl-2-oxochromen-4-yl)acetyl]amino]phenyl]methyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)C(=CC(=O)O2)CC(=O)NC3=CC=C(C=C3)CN4CCC[C@@H](C4)C(=O)N

DOS

IR

Vibrations