Geometry & MOs

Info

ID:	268533
PubChem CID:	103599828
Reduced:	ClO2N6C22H31 (1)
Stoich.:	AB2C6D22E31 (1)
Weight, g/mol:	445.247775
ΔH_f, kcal/mol:	-33.73
Dipole, Da:	4.38
IP(EA), eV:	-8.64(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(2,5-dimethyl-1-phenylpyrrol-3-yl)prop-2-enoyl]-N-(1-ethylpyrazol-4-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCCCN1C(=C(C(=N1)C)C=CC(=O)N2CCC(CC2)C(=O)NC3=CN(N=C3)CC)Cl

DOS

IR

Vibrations