Geometry & MOs

Info

ID:	219245
PubChem CID:	85096693
Reduced:	O3N8C23H36 (1)
Stoich.:	A3B8C23D36 (1)
Weight, g/mol:	472.330108
ΔH_f, kcal/mol:	-113.42
Dipole, Da:	6.07
IP(EA), eV:	-8.66(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 1-(diethylcarbamoyl)-9a,11a-dimethyl-7-oxo-2,3,3a,3b,4,8,9,9b,10,11-decahydro-1H-cyclopenta[i]phenanthridine-5-carboxylate

Drug info:

PubChemData

Smile

CCCCC(C(=O)N)NC(=O)C(CCCN=C(N)N)NC(=O)C(CC1=CNC2=CC=CC=C21)N

DOS

IR

Vibrations