Geometry & MOs

Info

ID:	166382
PubChem CID:	74680469
Reduced:	ClO2N6C17H27 (1)
Stoich.:	AB2C6D17E27 (1)
Weight, g/mol:	439.1604
ΔH_f, kcal/mol:	47.44
Dipole, Da:	28.69
IP(EA), eV:	-4.65(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[5-[3-(2,5-dimethylpyrrol-1-yl)thiophen-2-yl]-1H-pyrazol-3-yl]-(6-fluoro-3-formyl-4a,5,6,7,8,8a-hexahydrochromen-4-ylidene)azanium

Drug info:

PubChemData

Smile

CC[NH+]1CC[N+](=C2N=C3C(N2CC=C(C)Cl)C(=O)N(C(=O)N3C)C)CC1

DOS

IR

Vibrations