Geometry & MOs

Info

ID:	362815
PubChem CID:	127309369
Reduced:	O3N5C17H27 (1)
Stoich.:	A3B5C17D27 (1)
Weight, g/mol:	368.221226
ΔH_f, kcal/mol:	-113.01
Dipole, Da:	3.05
IP(EA), eV:	-9.4(0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(8-ethyl-3,4-dihydro-2H-chromen-4-yl)-3-(4-methylpyrazol-1-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1CCC(CC1)NC(=O)N2CCOC(C2)CN3C=CC=N3

DOS

IR

Vibrations