Geometry & MOs

Info

ID:	217829
PubChem CID:	85088446
Reduced:	O4C25H38 (1)
Stoich.:	A4B25C38 (1)
Weight, g/mol:	402.372248
ΔH_f, kcal/mol:	-179.49
Dipole, Da:	2.35
IP(EA), eV:	-9.54(1.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC12CCC3C(C1CCC2C4(OCCO4)C)CCC5(C3(C)CCC#C)OCCO5

DOS

IR

Vibrations