Geometry & MOs

Info

ID:	415425
PubChem CID:	135088419
Reduced:	FN2O3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	380.221226
ΔH_f, kcal/mol:	-169.11
Dipole, Da:	2.73
IP(EA), eV:	-9.37(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2,3-dihydro-1H-inden-1-yl)-1-[4-[2-(2-methylimidazol-1-yl)acetyl]-1,4-diazepan-1-yl]ethanone

Drug info:

PubChemData

Smile

CN1C[C@@H]2C[C@@H](C[C@@H]2CC1=O)N(C)C(=O)C3=C(C=C(C=C3)O)F

DOS

IR

Vibrations