Geometry & MOs

Info

ID:	367324
PubChem CID:	127324145
Reduced:	O2N4C21H32 (1)
Stoich.:	A2B4C21D32 (1)
Weight, g/mol:	375.146203
ΔH_f, kcal/mol:	-88.12
Dipole, Da:	6.39
IP(EA), eV:	-8.7(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(8-chloro-3,4-dihydro-2H-chromen-4-yl)-3-(2-ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)urea

Drug info:

PubChemData

Smile

CC1CCCN(C1)CC(C)NC(=O)N2CCNC(=O)CC2C3=CC=CC=C3

DOS

IR

Vibrations