Geometry & MOs

Info

ID:	176680
PubChem CID:	76082147
Reduced:	ON5C13H13 (1)
Stoich.:	AB5C13D13 (1)
Weight, g/mol:	368.344301
ΔH_f, kcal/mol:	57.45
Dipole, Da:	4.71
IP(EA), eV:	-9.95(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,13-dimethyl-17-(6-methylhept-4-yn-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthrene

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2C(=O)NC(NN2)C3=CN=CN=C3

DOS

IR

Vibrations