Geometry & MOs

Info

ID:	182028
PubChem CID:	76830947
Reduced:	N2O2C33H36 (1)
Stoich.:	A2B2C33D36 (1)
Weight, g/mol:	415.262363
ΔH_f, kcal/mol:	151.32
Dipole, Da:	5.04
IP(EA), eV:	-6.26(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

17-(benzotriazol-1-yl)-3,10,13-trimethyl-2,3,4,7,8,9,11,12,14,15-decahydro-1H-cyclopenta[a]phenanthrene-16-carbaldehyde

Drug info:

PubChemData

Smile

CC12CCC(CC1=CCC3C2CCC4(C3CC=C4N5C=NC6=CC=CC=C65)C)OC(=O)C7=CC=CC=C7

DOS

IR

Vibrations