Geometry & MOs

Info

ID:	163033
PubChem CID:	57581432
Reduced:	N2O5H26C30 (1)
Stoich.:	A2B5C26D30 (1)
Weight, g/mol:	475.247107
ΔH_f, kcal/mol:	-91.18
Dipole, Da:	13.24
IP(EA), eV:	-7.29(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-diethoxyphenyl)-4-oxo-N-(1-piperidin-1-ylisoquinolin-3-yl)butanamide

Drug info:

PubChemData

Smile

COC1=C/C(=C/2\C=C(NC(=C2)NC(=O)CCC(=O)C3=CC4=C(C=C3)OCC4)C5=CC=CC=C5)/C=CC1=O

DOS

IR

Vibrations