Geometry & MOs

Info

ID:	242548
PubChem CID:	97301993
Reduced:	NO2C26H34 (1)
Stoich.:	AB2C26D34 (1)
Weight, g/mol:	207.125929
ΔH_f, kcal/mol:	-43.3
Dipole, Da:	1.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.790894
Charge, e:	0

Chem-info

IUPAC name:

(3S)-7-methoxy-2,2-dimethyl-3,4-dihydrochromen-3-amine

Drug info:

PubChemData

Smile

CC(C)[N+](C)(CCOC(=O)[C@]12CCCC3=C1C(=CC=C3)C4=CC=CC=C24)C(C)C

DOS

IR

Vibrations