Geometry & MOs

Info

ID:	365192
PubChem CID:	127317009
Reduced:	N7C19H27 (1)
Stoich.:	A7B19C27 (1)
Weight, g/mol:	383.232125
ΔH_f, kcal/mol:	88.15
Dipole, Da:	4.11
IP(EA), eV:	-8.63(-0.38)
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]propanamide

Drug info:

PubChemData

Smile

CC(C)N1C2=C(C=C(C=N2)CN3CCN(CC3)CC4=NC=CN4C)C=N1

DOS

IR

Vibrations