Geometry & MOs

Info

ID:	187585
PubChem CID:	77594033
Reduced:	N3O3C24H25 (1)
Stoich.:	A3B3C24D25 (1)
Weight, g/mol:	303.104148
ΔH_f, kcal/mol:	-34.48
Dipole, Da:	5.2
IP(EA), eV:	-8.24(-1.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-methyl-5-[(4-oxo-5,6,7,8-tetrahydro-4aH-phthalazin-1-yl)methyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)NC(=O)C2=CC=CC(=C2)CC3=C4CCCCC4C(=O)N=N3

DOS

IR

Vibrations