Geometry & MOs

Info

ID:	430287
PubChem CID:	135170351
Reduced:	SO3N4H26C31 (1)
Stoich.:	AB3C4D26E31 (1)
Weight, g/mol:	266.178299
ΔH_f, kcal/mol:	118.38
Dipole, Da:	6.48
IP(EA), eV:	-8.43(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-2,3-dimethyl-7,8,9,10-tetrahydrophenanthridin-6-amine

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)C2C3=C(C4=C(C3=O)C=CC(=C4)C(=O)NCCC5(N=N5)CCC#C)NC6=CC=CC=C6S2

DOS

IR

Vibrations