Geometry & MOs

Info

ID:	348769
PubChem CID:	127273880
Reduced:	ON3C10H14 (2)
Stoich.:	AB3C10D14 (2)
Weight, g/mol:	396.227374
ΔH_f, kcal/mol:	-39.08
Dipole, Da:	2.53
IP(EA), eV:	-8.81(-0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C2=CC=CC=C2NC(=O)NC3CCC4=NC(=NN4C3)C

DOS

IR

Vibrations