Geometry & MOs

Info

ID:	370567
PubChem CID:	127339702
Reduced:	ON4C22H26 (1)
Stoich.:	AB4C22D26 (1)
Weight, g/mol:	366.205576
ΔH_f, kcal/mol:	24.12
Dipole, Da:	3.55
IP(EA), eV:	-9.32(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-N-[2-[4-(1-methylpyrazol-4-yl)piperidine-1-carbonyl]phenyl]cyclopropanecarboxamide

Drug info:

PubChemData

Smile

CC(C)C1=NC2=CC=CC=C2C(=C1)C(=O)N3CCC(CC3)C4=CN(N=C4)C

DOS

IR

Vibrations