Geometry & MOs

Info

ID:	378810
PubChem CID:	134224911
Reduced:	ClFO2N4H18C19 (1)
Stoich.:	ABC2D4E18F19 (1)
Weight, g/mol:	273.15896
ΔH_f, kcal/mol:	-63.43
Dipole, Da:	4.43
IP(EA), eV:	-9.1(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[4-[(Z)-amino-[2-(methylamino)pyrrol-3-ylidene]methyl]pyrazol-1-yl]-3-methylbutanal

Drug info:

PubChemData

Smile

CCNC1=NC=CC(=N1)C2=CC(=O)N(C=C2)C(CO)C3=CC(=C(C=C3)F)Cl

DOS

IR

Vibrations