Geometry & MOs

Info

ID:	399273
PubChem CID:	135039292
Reduced:	NC18H23 (1)
Stoich.:	AB18C23 (1)
Weight, g/mol:	236.17763
ΔH_f, kcal/mol:	30.0
Dipole, Da:	1.38
IP(EA), eV:	-8.66(0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[(4aS,8aS)-2,5,5,8a-tetramethyl-4a,6,7,8-tetrahydro-4H-chromen-3-yl]ethanone

Drug info:

PubChemData

Smile

CC1=CC=CC=C1[C@H](C)N(C)[C@@H](C)C2=CC=CC=C2

DOS

IR

Vibrations