Geometry & MOs

Info

ID:	284320
PubChem CID:	104042947
Reduced:	O2N3C16H17 (1)
Stoich.:	A2B3C16D17 (1)
Weight, g/mol:	267.137162
ΔH_f, kcal/mol:	-30.74
Dipole, Da:	5.49
IP(EA), eV:	-9.36(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(aminomethyl)-3,4-dihydro-1H-isoquinolin-2-yl]-pyridin-2-ylmethanone

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations