Geometry & MOs

Info

ID:	27611
PubChem CID:	822553
Reduced:	N3O4C16H17 (1)
Stoich.:	A3B4C16D17 (1)
Weight, g/mol:	314.071946
ΔH_f, kcal/mol:	-113.55
Dipole, Da:	0.9
IP(EA), eV:	-9.16(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(1R)-1-(azepan-1-yl)-2,2,2-trichloroethyl]-2-methylpropanamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=NN[C@@H]2[C@@H]1C(=O)N(C2=O)C3=C(C=CC(=C3)C)C

DOS

IR

Vibrations