Geometry & MOs

Info

ID:	59619
PubChem CID:	24890494
Reduced:	N4O5C18H18 (1)
Stoich.:	A4B5C18D18 (1)
Weight, g/mol:	485.208134
ΔH_f, kcal/mol:	-99.99
Dipole, Da:	4.53
IP(EA), eV:	-8.63(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-N-[4-[4-(3,4-dimethoxyphenyl)piperazin-1-yl]butyl]-2H-chromene-3-carboxamide

Drug info:

PubChemData

Smile

CC1(C2=N/C(=C(/NCC3=NOC4=CC=CC=C43)\O)/C(=O)C(=O)N2CCO1)C

DOS

IR

Vibrations