Geometry & MOs

Info

ID:	175528
PubChem CID:	75918466
Reduced:	BrON4C21H30 (1)
Stoich.:	ABC4D21E30 (1)
Weight, g/mol:	432.15247
ΔH_f, kcal/mol:	16.47
Dipole, Da:	5.81
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.753469
Charge, e:	0

Chem-info

IUPAC name:

4-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-[3-(2-methylpiperidin-1-yl)propyl]benzamide

Drug info:

PubChemData

Smile

CC1CCCC[NH+]1CCCNC(=O)C2=CC=C(C=C2)N3C(=C(C(=N3)C)Br)C

DOS

IR

Vibrations