Geometry & MOs

Info

ID:	348765
PubChem CID:	127273876
Reduced:	O2N6C19H24 (1)
Stoich.:	A2B6C19D24 (1)
Weight, g/mol:	384.190989
ΔH_f, kcal/mol:	-30.46
Dipole, Da:	4.81
IP(EA), eV:	-9.26(-0.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)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=CC(=C3)C(=O)N4CCCC4

DOS

IR

Vibrations