Geometry & MOs

Info

ID:	168560
PubChem CID:	74989439
Reduced:	ClNOC16H24 (1)
Stoich.:	ABCD16E24 (1)
Weight, g/mol:	244.132411
ΔH_f, kcal/mol:	-58.46
Dipole, Da:	5.14
IP(EA), eV:	-8.64(0.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-1-(4-aminophenyl)-4-(1H-imidazol-5-yl)butan-2-one

Drug info:

PubChemData

Smile

CC1CCN(CC1)CCC(C)OC2=CC=C(C=C2)Cl

DOS

IR

Vibrations