Geometry & MOs

Info

ID:	365190
PubChem CID:	127317007
Reduced:	OSN6C20H26 (1)
Stoich.:	ABC6D20E26 (1)
Weight, g/mol:	369.216475
ΔH_f, kcal/mol:	42.05
Dipole, Da:	5.34
IP(EA), eV:	-8.8(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3,4-dihydro-2H-chromen-4-yl)-2-[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(C(=O)NC1=C(C2=C(S1)CCC2)C#N)N3CCN(CC3)CC4=NC=CN4C

DOS

IR

Vibrations