Geometry & MOs

Info

ID:	38037
PubChem CID:	8026535
Reduced:	N2O4C23H30 (1)
Stoich.:	A2B4C23D30 (1)
Weight, g/mol:	339.194677
ΔH_f, kcal/mol:	-127.14
Dipole, Da:	2.59
IP(EA), eV:	-8.88(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-butoxyphenyl)-(4-pyridin-2-ylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1=CC=CC=C1OCCOC2=CC=CC=C2)N3CCOCC3

DOS

IR

Vibrations