Geometry & MOs

Info

ID:	348764
PubChem CID:	127273875
Reduced:	ON3C9H11 (2)
Stoich.:	AB3C9D11 (2)
Weight, g/mol:	368.196074
ΔH_f, kcal/mol:	-31.43
Dipole, Da:	5.76
IP(EA), eV:	-8.4(-0.11)
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-[3-(pyrrolidine-1-carbonyl)phenyl]urea

Drug info:

PubChemData

Smile

CC1=NN2CC(CCC2=N1)NC(=O)NC3=CC=C(C=C3)N4CCCC4=O

DOS

IR

Vibrations