Geometry & MOs

Info

ID:	375300
PubChem CID:	131499871
Reduced:	NO3C12H17 (1)
Stoich.:	AB3C12D17 (1)
Weight, g/mol:	221.105193
ΔH_f, kcal/mol:	-105.17
Dipole, Da:	2.65
IP(EA), eV:	-8.53(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (4S)-4-amino-3,4-dihydro-2H-chromene-5-carboxylate

Drug info:

PubChemData

Smile

CCOC1=C(C=CC=C1O)[C@H]2COCCN2

DOS

IR

Vibrations