Geometry & MOs

Info

ID:	73573
PubChem CID:	48418237
Reduced:	ClN3O5C18H22 (1)
Stoich.:	AB3C5D18E22 (1)
Weight, g/mol:	350.163043
ΔH_f, kcal/mol:	-126.13
Dipole, Da:	4.04
IP(EA), eV:	-8.48(-0.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(4-ethoxyphenyl)methyl]-1-methoxy-N-methylisoquinoline-3-carboxamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)OC(C)C(=O)NNC(=O)CCC2=C(ON=C2C)Cl

DOS

IR

Vibrations