Geometry & MOs

Info

ID:	425795
PubChem CID:	135128049
Reduced:	FN3C26H26 (1)
Stoich.:	AB3C26D26 (1)
Weight, g/mol:	342.173213
ΔH_f, kcal/mol:	76.18
Dipole, Da:	2.79
IP(EA), eV:	-8.73(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3E,5Z)-hepta-1,3,5-trien-3-yl]-7-(3-methoxyphenyl)isoquinolin-1-amine

Drug info:

PubChemData

Smile

CC1=CC(=CC2=C1N=C(N=C2N(C)C)/C(=C/C(=C)C)/C=C\C=C)C3=CC=CC=C3F

DOS

IR

Vibrations