Geometry & MOs

Info

ID:	44195
PubChem CID:	10501893
Reduced:	NO2C28H31 (1)
Stoich.:	AB2C28D31 (1)
Weight, g/mol:	413.150619
ΔH_f, kcal/mol:	-11.87
Dipole, Da:	1.6
IP(EA), eV:	-8.59(0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[benzyl-[3-hydroxy-3-(4-methoxyphenyl)propyl]amino]-5-chloro-2-methylpyridazin-3-one

Drug info:

PubChemData

Smile

CC/C(=C(\C1=CC=CC=C1)/C2=CC=C(C=C2)OCN3CCOCC3)/CC4=CC=CC=C4

DOS

IR

Vibrations