Geometry & MOs

Info

ID:	348777
PubChem CID:	127273888
Reduced:	OSN5C21H29 (1)
Stoich.:	ABC5D21E29 (1)
Weight, g/mol:	383.232125
ΔH_f, kcal/mol:	-13.63
Dipole, Da:	4.14
IP(EA), eV:	-8.48(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-(cyclohexylmethoxy)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=C(C=CC(=C1)SC2CCCCC2)NC(=O)NC3CCC4=NC(=NN4C3)C

DOS

IR

Vibrations