Geometry & MOs

Info

ID:	175529
PubChem CID:	75918467
Reduced:	BrON4C21H29 (1)
Stoich.:	ABC4D21E29 (1)
Weight, g/mol:	415.226464
ΔH_f, kcal/mol:	-9.56
Dipole, Da:	3.75
IP(EA), eV:	-8.76(-0.73)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

1-(3-chloro-4-methylphenyl)-5-cyclopropyl-N-[3-(2-methylpiperidin-1-ium-1-yl)propyl]pyrazole-4-carboxamide

Drug info:

PubChemData

Smile

CC1CCCCN1CCCNC(=O)C2=CC=C(C=C2)N3C(=C(C(=N3)C)Br)C

DOS

IR

Vibrations