Geometry & MOs

Info

ID:	415502
PubChem CID:	135088498
Reduced:	N3O3C22H29 (1)
Stoich.:	A3B3C22D29 (1)
Weight, g/mol:	333.124405
ΔH_f, kcal/mol:	18.95
Dipole, Da:	7.25
IP(EA), eV:	-8.91(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-chloro-2H-chromen-3-yl)methyl-[(2-methyl-1H-imidazol-5-yl)methyl]amino]ethanol

Drug info:

PubChemData

Smile

CCC1=NC=CN1CCC(=O)N2CCC3(CC2)C4=C(CCO3)C=C(C=C4)OC

DOS

IR

Vibrations