Geometry & MOs

Info

ID:	358987
PubChem CID:	127296878
Reduced:	O2N3C21H27 (1)
Stoich.:	A2B3C21D27 (1)
Weight, g/mol:	351.194677
ΔH_f, kcal/mol:	-32.03
Dipole, Da:	7.6
IP(EA), eV:	-8.65(0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-2-piperidin-1-ylpyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)N1C(=CC(=N1)C(=O)NCC2CCOC3=CC=CC=C23)C4CC4

DOS

IR

Vibrations