Geometry & MOs

Info

ID:	75864
PubChem CID:	48424083
Reduced:	NF2O2C16H21 (1)
Stoich.:	AB2C2D16E21 (1)
Weight, g/mol:	358.200491
ΔH_f, kcal/mol:	-150.61
Dipole, Da:	3.47
IP(EA), eV:	-9.55(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[1-[[2-methyl-3-(2-methylimidazol-1-yl)propyl]amino]-1-oxo-3-phenylpropan-2-yl]carbamate

Drug info:

PubChemData

Smile

CC(C1=C(C=CC(=C1)F)F)N(C)C(=O)C(C)OCC2CC2

DOS

IR

Vibrations