Geometry & MOs

Info

ID:	367363
PubChem CID:	127324315
Reduced:	O2N3C18H25 (1)
Stoich.:	A2B3C18D25 (1)
Weight, g/mol:	398.254258
ΔH_f, kcal/mol:	-67.06
Dipole, Da:	6.96
IP(EA), eV:	-9.42(0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CC1CNC(=O)N2CCNC(=O)CC2C3=CC=CC=C3)C

DOS

IR

Vibrations