Geometry & MOs

Info

ID:	313169
PubChem CID:	126612358
Reduced:	IN4H11C14 (1)
Stoich.:	AB4C11D14 (1)
Weight, g/mol:	289.157898
ΔH_f, kcal/mol:	131.07
Dipole, Da:	4.68
IP(EA), eV:	-9.05(-3.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(6-methyl-2,3-dihydro-1H-indol-2-yl)methyl]isoquinolin-1-amine

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C2=NN(C3=C2C=NC(=C3)C=C)I

DOS

IR

Vibrations