Geometry & MOs

Info

ID:	367322
PubChem CID:	127324137
Reduced:	ON6C21H30 (1)
Stoich.:	AB6C21D30 (1)
Weight, g/mol:	373.191403
ΔH_f, kcal/mol:	0.24
Dipole, Da:	2.44
IP(EA), eV:	-9.01(0.37)
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-(7-fluoro-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)urea

Drug info:

PubChemData

Smile

CCC1=NN2CC(CCC2=N1)NC(=O)NC3CCN(C3)C(C)C4=CC=CC=C4

DOS

IR

Vibrations