Geometry & MOs

Info

ID:	268513
PubChem CID:	103599705
Reduced:	O2N5C24H25 (1)
Stoich.:	A2B5C24D25 (1)
Weight, g/mol:	400.166604
ΔH_f, kcal/mol:	12.82
Dipole, Da:	4.28
IP(EA), eV:	-9.29(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]prop-2-enoylamino]cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

C1CCC(C1)(C(=O)N)NC(=O)C=CC2=CN(N=C2C3=CN=CC=C3)CC4=CC=CC=C4

DOS

IR

Vibrations