Geometry & MOs

Info

ID:	445657
PubChem CID:	135268774
Reduced:	ClN2C18H21 (1)
Stoich.:	AB2C18D21 (1)
Weight, g/mol:	413.259089
ΔH_f, kcal/mol:	143.73
Dipole, Da:	2.8
IP(EA), eV:	-7.9(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

O-[1-[[1-[5-[ethenyl(methyl)amino]-3-[(4-fluorophenyl)methyl]-2-propylimidazol-4-yl]ethenyl-methylamino]methyl]cyclopropyl]hydroxylamine

Drug info:

PubChemData

Smile

CCCC(=C)CC1NC2=C(C2=C)N1CC3=CC=C(C=C3)Cl

DOS

IR

Vibrations