Geometry & MOs

Info

ID:	284323
PubChem CID:	104042951
Reduced:	ION2C17H17 (1)
Stoich.:	ABC2D17E17 (1)
Weight, g/mol:	240.137497
ΔH_f, kcal/mol:	19.99
Dipole, Da:	4.91
IP(EA), eV:	-9.13(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2-pyrimidin-2-yl-3,4-dihydro-1H-isoquinolin-1-yl)methanamine

Drug info:

PubChemData

Smile

C1CN(C(C2=CC=CC=C21)CN)C(=O)C3=CC=CC=C3I

DOS

IR

Vibrations