Geometry & MOs

Info

ID:	180858
PubChem CID:	76694699
Reduced:	N3O5C29H40 (1)
Stoich.:	A3B5C29D40 (1)
Weight, g/mol:	415.06605
ΔH_f, kcal/mol:	-123.66
Dipole, Da:	5.66
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.074864
Charge, e:	-1

Chem-info

IUPAC name:

2-(dimethylamino)-5-pyridin-2-ylbenzene-4-ide-1-carbonitrile;iridium

Drug info:

PubChemData

Smile

CC1C2C(C(=O)N2C(=C1COC3=CC=CC4=C(C=CC=C43)CC[N+](C)(C)CCN(C)C)C(=O)O)C(C)O

DOS

IR

Vibrations