Geometry & MOs

Info

ID:	348772
PubChem CID:	127273883
Reduced:	ClO2N5C19H24 (1)
Stoich.:	AB2C5D19E24 (1)
Weight, g/mol:	382.175339
ΔH_f, kcal/mol:	-47.37
Dipole, Da:	2.43
IP(EA), eV:	-8.52(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]-3-(2-methyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)NC3=CC(=C(C=C3)OC4CCCC4)Cl

DOS

IR

Vibrations