Geometry & MOs

Info

ID:	182004
PubChem CID:	76827717
Reduced:	ON6C23H26 (1)
Stoich.:	AB6C23D26 (1)
Weight, g/mol:	491.326026
ΔH_f, kcal/mol:	85.71
Dipole, Da:	6.96
IP(EA), eV:	-8.24(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(dimethylamino)propyl]-N-[2-(6,6-dimethyl-3a,4,5,7-tetrahydro-2H-indazol-3-ylidene)indol-6-yl]-2-(oxan-4-yl)acetamide

Drug info:

PubChemData

Smile

CC1(CCC2C(=NNC2=C3C=C4C=CC(=CC4=N3)N(C)C(=O)CN5C=CN=C5)C1)C

DOS

IR

Vibrations