Geometry & MOs

Info

ID:	359241
PubChem CID:	127297758
Reduced:	N3O3C18H25 (1)
Stoich.:	A3B3C18D25 (1)
Weight, g/mol:	381.205242
ΔH_f, kcal/mol:	-127.04
Dipole, Da:	2.03
IP(EA), eV:	-8.99(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-chromen-4-ylmethyl)-4-(3-methoxyphenyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(=O)NC1CCCN(C1)C(=O)NCC2CCOC3=CC=CC=C23

DOS

IR

Vibrations