Geometry & MOs

Info

ID:	255965
PubChem CID:	103135973
Reduced:	N3C18H19 (1)
Stoich.:	A3B18C19 (1)
Weight, g/mol:	276.162649
ΔH_f, kcal/mol:	76.02
Dipole, Da:	5.15
IP(EA), eV:	-9.22(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,5-dimethylphenyl)-1-isoquinolin-8-yl-N-methylmethanamine

Drug info:

PubChemData

Smile

CCCNC(C1=CC=NC=C1)C2=CC=CC3=C2C=NC=C3

DOS

IR

Vibrations