Geometry & MOs

Info

ID:	85748
PubChem CID:	49878691
Reduced:	N3O3C16H19 (1)
Stoich.:	A3B3C16D19 (1)
Weight, g/mol:	418.200491
ΔH_f, kcal/mol:	-94.67
Dipole, Da:	2.16
IP(EA), eV:	-9.31(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[(6-methyl-3-phenylcinnoline-4-carbonyl)amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC1=NC2=CC=CC=C2N(C1=O)CC(=O)NCC3CCCO3

DOS

IR

Vibrations