Geometry & MOs

Info

ID:	196937
PubChem CID:	78899325
Reduced:	ON2C22H28 (1)
Stoich.:	AB2C22D28 (1)
Weight, g/mol:	401.196408
ΔH_f, kcal/mol:	-23.78
Dipole, Da:	2.93
IP(EA), eV:	-8.72(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[[(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]methyl]phenyl]-3-propan-2-ylurea

Drug info:

PubChemData

Smile

CC1=CC=CC=C1C2CCCN2CC(=O)NC3=CC=CC=C3C(C)C

DOS

IR

Vibrations