Geometry & MOs

Info

ID:	431657
PubChem CID:	135171753
Reduced:	NC10H13 (1)
Stoich.:	AB10C13 (1)
Weight, g/mol:	388.076075
ΔH_f, kcal/mol:	19.02
Dipole, Da:	1.58
IP(EA), eV:	-8.44(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-chloro-2-methoxyphenyl)sulfanyl-7-methyl-9-oxa-5,6,11-triazatricyclo[8.4.0.02,6]tetradeca-1(10),2,4,11,13-pentaen-13-amine

Drug info:

PubChemData

Smile

CC(=C)CC1=CC(=CC=C1)N

DOS

IR

Vibrations