Geometry & MOs

Info

ID:	311302
PubChem CID:	126590324
Reduced:	NC19H19 (1)
Stoich.:	AB19C19 (1)
Weight, g/mol:	375.219829
ΔH_f, kcal/mol:	54.6
Dipole, Da:	0.8
IP(EA), eV:	-7.82(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2,4-dimethyl-6-(4-propyl-7-bicyclo[4.2.0]octa-1(8),2,4,6-tetraenyl)phenyl]-4,6-dimethyl-4H-1,3-dioxin-2-amine

Drug info:

PubChemData

Smile

CC1=CCNC(=C1)C2=C(C=CC(=C2)C3=CC=CC=C3)C

DOS

IR

Vibrations