Geometry & MOs

Info

ID:	418963
PubChem CID:	135107226
Reduced:	ON2H10C11 (2)
Stoich.:	AB2C10D11 (2)
Weight, g/mol:	356.212473
ΔH_f, kcal/mol:	36.14
Dipole, Da:	4.46
IP(EA), eV:	-9.28(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[[1-(2-fluorophenyl)pyrazol-4-yl]methyl]-N,N-dimethyl-N'-[(5-methyl-1H-imidazol-4-yl)methyl]ethane-1,2-diamine

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1)N=C(C=C2C(=O)NCC3=C(ON=C3C)C)C4=CN=CC=C4

DOS

IR

Vibrations