Geometry & MOs

Info

ID:	171392
PubChem CID:	75371737
Reduced:	O2N3C16H23 (1)
Stoich.:	A2B3C16D23 (1)
Weight, g/mol:	407.136032
ΔH_f, kcal/mol:	-46.51
Dipole, Da:	1.11
IP(EA), eV:	-8.66(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-chloro-N-[2-methyl-3-[3-(5-methyl-1H-pyrazol-4-yl)propylamino]-3-oxopropyl]-2-nitrobenzamide

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1CN(CC2=NC=CN2)CC(C)O

DOS

IR

Vibrations