Geometry & MOs

Info

ID:	367256
PubChem CID:	127324033
Reduced:	OCl2N5C15H21 (1)
Stoich.:	AB2C5D15E21 (1)
Weight, g/mol:	345.252861
ΔH_f, kcal/mol:	-10.83
Dipole, Da:	4.61
IP(EA), eV:	-8.79(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-(1,7,7-trimethyl-2-bicyclo[2.2.1]heptanyl)urea

Drug info:

PubChemData

Smile

C1CC1N2CCC(C2)NC(=O)NCCNC3=C(C=C(C=N3)Cl)Cl

DOS

IR

Vibrations