Geometry & MOs

Info

ID:	426386
PubChem CID:	135143688
Reduced:	IN2O4C29H31 (1)
Stoich.:	AB2C4D29E31 (1)
Weight, g/mol:	431.163377
ΔH_f, kcal/mol:	-116.67
Dipole, Da:	4.56
IP(EA), eV:	-8.58(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-isoquinolin-7-yl-2-phenylmethoxy-N-pyridin-3-ylbenzamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2=C(CC1)C=C(C=C2)NC(=O)C3=C(C=C(C=C3)I)OCC4=CC=CC=C4

DOS

IR

Vibrations