Geometry & MOs

Info

ID:	206466
PubChem CID:	80255611
Reduced:	O2N3C14H19 (1)
Stoich.:	A2B3C14D19 (1)
Weight, g/mol:	259.168462
ΔH_f, kcal/mol:	-68.72
Dipole, Da:	2.32
IP(EA), eV:	-8.61(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-N-cyclopentyl-3,4-dihydro-1H-isoquinoline-2-carboxamide

Drug info:

PubChemData

Smile

C1COCC1NC(=O)NC2=CC3=C(CCNC3)C=C2

DOS

IR

Vibrations