Geometry & MOs

Info

ID:	132157
PubChem CID:	51314610
Reduced:	O2N3C23H29 (1)
Stoich.:	A2B3C23D29 (1)
Weight, g/mol:	372.158626
ΔH_f, kcal/mol:	-55.14
Dipole, Da:	4.57
IP(EA), eV:	-8.59(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-methylidene-3-oxoisoindol-2-yl)-N-[[2-(pyrazol-1-ylmethyl)phenyl]methyl]acetamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCC2=CC=CC=C2)C(=O)CCNC(=O)CC3=CC=CC=C3

DOS

IR

Vibrations