Geometry & MOs

Info

ID:	149315
PubChem CID:	53788987
Reduced:	NO3C21H35 (1)
Stoich.:	AB3C21D35 (1)
Weight, g/mol:	397.200156
ΔH_f, kcal/mol:	-186.68
Dipole, Da:	5.12
IP(EA), eV:	-9.14(1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(hydroxymethoxy)-N-[(3S)-5-(4-methylpiperazin-1-yl)-3,4-dihydro-2H-chromen-3-yl]benzamide

Drug info:

PubChemData

Smile

CC(C1(CCC2C1(CCC3C2CCC4C3(CCC(=O)N4C)C)C)O)O

DOS

IR

Vibrations