Geometry & MOs

Info

ID:	126255
PubChem CID:	50957842
Reduced:	O2N3C18H25 (1)
Stoich.:	A2B3C18D25 (1)
Weight, g/mol:	347.17461
ΔH_f, kcal/mol:	-75.5
Dipole, Da:	5.01
IP(EA), eV:	-8.44(0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-(2-methylpropyl)-2-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]-2,3-dihydroisoindol-1-one

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CN2CCC(=CC2)CCNC(=O)C

DOS

IR

Vibrations