Geometry & MOs

Info

ID:	348658
PubChem CID:	127273769
Reduced:	O2N7C19H21 (1)
Stoich.:	A2B7C19D21 (1)
Weight, g/mol:	223.14331
ΔH_f, kcal/mol:	-1.32
Dipole, Da:	9.25
IP(EA), eV:	-9.44(-0.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=NC(=O)C=C(N1)C2=CC=C(C=C2)NC(=O)NC3CCC4=NC(=NN4C3)C

DOS

IR

Vibrations