Geometry & MOs

Info

ID:	42983
PubChem CID:	10317511
Reduced:	O2C12H13 (2)
Stoich.:	A2B12C13 (2)
Weight, g/mol:	378.151433
ΔH_f, kcal/mol:	-110.72
Dipole, Da:	0.45
IP(EA), eV:	-8.71(0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-isoquinolin-5-yl-3-[(4-thiomorpholin-4-ylphenyl)methyl]urea

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=C1)OC)C2=CC=C(C=C2)C3=C(C=C(C=C3OC)C)OC)OC

DOS

IR

Vibrations