Geometry & MOs

Info

ID:	350238
PubChem CID:	127277316
Reduced:	O2N3C14H25 (1)
Stoich.:	A2B3C14D25 (1)
Weight, g/mol:	246.136828
ΔH_f, kcal/mol:	-96.88
Dipole, Da:	0.96
IP(EA), eV:	-9.11(0.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-hydroxy-N-(2-methylcyclopropyl)-3,4-dihydro-1H-isoquinoline-2-carboxamide

Drug info:

PubChemData

Smile

CC1CC1NC(=O)N2CCN(CC2)C(=O)C(C)(C)C

DOS

IR

Vibrations