Geometry & MOs

Info

ID:	296835
PubChem CID:	117595693
Reduced:	N2O10C27H30 (1)
Stoich.:	A2B10C27D30 (1)
Weight, g/mol:	643.281299
ΔH_f, kcal/mol:	-330.49
Dipole, Da:	4.74
IP(EA), eV:	-9.0(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(3,4-diethoxyphenyl)methyl]-6,7-diethoxyisoquinoline;1,3-diphenylurea;hydrochloride

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C=C(C=C1C)O)O.CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=CC=C2[N+](=O)[O-])C(=O)OC

DOS

IR

Vibrations