Geometry & MOs

Info

ID:	199488
PubChem CID:	79254874
Reduced:	OSN3C14H21 (1)
Stoich.:	ABC3D14E21 (1)
Weight, g/mol:	313.06774
ΔH_f, kcal/mol:	-1.45
Dipole, Da:	5.05
IP(EA), eV:	-9.13(-0.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-bromo-3,4-dihydro-2H-chromen-4-yl)amino]-3-methylbutan-1-ol

Drug info:

PubChemData

Smile

CC(C)C(CO)NC(C1=CC=CS1)C2=NC=CN2C

DOS

IR

Vibrations