Geometry & MOs

Info

ID:	66463
PubChem CID:	46504621
Reduced:	O3N5C28H37 (1)
Stoich.:	A3B5C28D37 (1)
Weight, g/mol:	474.263091
ΔH_f, kcal/mol:	-70.97
Dipole, Da:	4.07
IP(EA), eV:	-8.38(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cycloheptyl-2-[[4-(diethylamino)benzoyl]amino]-1-oxoisoquinoline-4-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)CCCNC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)C3=CC=C(C=C3)N(CC)CC

DOS

IR

Vibrations