Geometry & MOs

Info

ID:	188912
PubChem CID:	77783590
Reduced:	SN5C16H17 (1)
Stoich.:	AB5C16D17 (1)
Weight, g/mol:	474.313395
ΔH_f, kcal/mol:	100.27
Dipole, Da:	5.14
IP(EA), eV:	-9.31(-1.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(13-methyl-16-pentyl-3-phenylmethoxy-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthren-17-yl) acetate

Drug info:

PubChemData

Smile

CC1(CCN(C(=N1)N)C)C2=CC=CC(=N2)C3=CC=C(S3)C#N

DOS

IR

Vibrations