Geometry & MOs

Info

ID:	381325
PubChem CID:	134972025
Reduced:	NOC14H25 (1)
Stoich.:	ABC14D25 (1)
Weight, g/mol:	396.16639
ΔH_f, kcal/mol:	-71.13
Dipole, Da:	2.36
IP(EA), eV:	-8.78(2.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3R)-3-[(1R,3aR,4E,7aR)-4-(bromomethylidene)-7a-methyl-2,3,3a,5,6,7-hexahydro-1H-inden-1-yl]-1-[1-(3-hydroxyprop-1-en-2-yl)cyclopropyl]butan-1-ol

Drug info:

PubChemData

Smile

CC1(C2CCC1(C(C2N3CCCC3)O)C)C

DOS

IR

Vibrations