Geometry & MOs

Info

ID:	348767
PubChem CID:	127273878
Reduced:	O2N5C19H25 (1)
Stoich.:	A2B5C19D25 (1)
Weight, g/mol:	398.243024
ΔH_f, kcal/mol:	-39.64
Dipole, Da:	2.6
IP(EA), eV:	-8.43(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2,6-dimethylmorpholin-4-yl)methyl]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=NN2CC(CCC2=N1)NC(=O)NC3=CC=C(C=C3)OC4CCCC4

DOS

IR

Vibrations