Geometry & MOs

Info

ID:	62845
PubChem CID:	26737232
Reduced:	O3N8H16C17 (1)
Stoich.:	A3B8C16D17 (1)
Weight, g/mol:	387.154269
ΔH_f, kcal/mol:	93.9
Dipole, Da:	7.2
IP(EA), eV:	-9.25(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-ethoxy-5-methoxy-2-nitrophenyl)-(4-pyrimidin-2-ylpiperazin-1-yl)methanone

Drug info:

PubChemData

Smile

C1CN(CCN1C2=NC=CC=N2)C(=O)C3=CC(=C(C=C3)N4C=NC=N4)[N+](=O)[O-]

DOS

IR

Vibrations