Geometry & MOs

Info

ID:	336109
PubChem CID:	127255116
Reduced:	N4O5C25H26 (1)
Stoich.:	A4B5C25D26 (1)
Weight, g/mol:	382.200491
ΔH_f, kcal/mol:	-154.78
Dipole, Da:	3.55
IP(EA), eV:	-8.89(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(2-pyridin-4-ylethyl)piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1CCC2=CN=CN2)C(CC(=O)OC)C3=CC4=CC=CC=C4N(C3=O)C)O

DOS

IR

Vibrations