Geometry & MOs

Info

ID:	355727
PubChem CID:	127289800
Reduced:	O3N4C20H22 (1)
Stoich.:	A3B4C20D22 (1)
Weight, g/mol:	381.162332
ΔH_f, kcal/mol:	-59.67
Dipole, Da:	3.82
IP(EA), eV:	-8.36(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)propanamide

Drug info:

PubChemData

Smile

C1CCC2(C1)OC3=C(O2)C=C(C=C3)NC(=O)CN4CCC5=CN=CN=C5C4

DOS

IR

Vibrations