Geometry & MOs

Info

ID:	348763
PubChem CID:	127273874
Reduced:	O2N5C20H25 (1)
Stoich.:	A2B5C20D25 (1)
Weight, g/mol:	354.180424
ΔH_f, kcal/mol:	-36.65
Dipole, Da:	4.94
IP(EA), eV:	-9.53(0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)C3CC(=O)N(C3)C(C)C4=CC=CC=C4

DOS

IR

Vibrations