Geometry & MOs

Info

ID:	175669
PubChem CID:	75933863
Reduced:	FO2N3C19H31 (1)
Stoich.:	AB2C3D19E31 (1)
Weight, g/mol:	390.239282
ΔH_f, kcal/mol:	-109.13
Dipole, Da:	1.31
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.752128
Charge, e:	1

Chem-info

IUPAC name:

dimethyl-[2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-[2-(3-phenylprop-2-enoylamino)acetyl]amino]ethyl]azanium

Drug info:

PubChemData

Smile

CC(C)OCCC(=O)NC(C)C1=C(C=CC(=C1)F)N2CC[NH+](CC2)C

DOS

IR

Vibrations