Geometry & MOs

Info

ID:	169659
PubChem CID:	75132915
Reduced:	N4O4C15H26 (1)
Stoich.:	A4B4C15D26 (1)
Weight, g/mol:	242.105528
ΔH_f, kcal/mol:	-176.84
Dipole, Da:	8.11
IP(EA), eV:	-8.89(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(cyclopropylmethyl)-1-oxo-8aH-isoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCCN1C(C(C(=O)NC1=O)C(=O)CN2CCC(CC2)OC)N

DOS

IR

Vibrations