Geometry & MOs

Info

ID:	371213
PubChem CID:	127344341
Reduced:	O2N5C20H25 (1)
Stoich.:	A2B5C20D25 (1)
Weight, g/mol:	386.187339
ΔH_f, kcal/mol:	-40.06
Dipole, Da:	2.91
IP(EA), eV:	-9.41(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[1-(4-chlorophenyl)cyclopropyl]methyl]-4-(1-ethylpyrazol-4-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(=O)N2CCC(CC2)NC(=O)N3CCN4C=CN=C4C3

DOS

IR

Vibrations