Geometry & MOs

Info

ID:	169143
PubChem CID:	75067889
Reduced:	ClN2O2C27H41 (1)
Stoich.:	AB2C2D27E41 (1)
Weight, g/mol:	440.18667
ΔH_f, kcal/mol:	-139.59
Dipole, Da:	4.35
IP(EA), eV:	-9.04(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[4-[4-(1-aminopropyl)-3-methoxyphenyl]cyclohexyl]oxy-7-chloro-7H-isoquinolin-1-one

Drug info:

PubChemData

Smile

CCC(C1(CCC(CC1)OC2CC3CCNC(=O)C3CC2Cl)C4=CC=C(C=C4)C(C)C)N

DOS

IR

Vibrations