Geometry & MOs

Info

ID:	171784
PubChem CID:	75427330
Reduced:	NO2F4H11C13 (1)
Stoich.:	AB2C4D11E13 (1)
Weight, g/mol:	282.149891
ΔH_f, kcal/mol:	-216.02
Dipole, Da:	4.26
IP(EA), eV:	-9.44(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-amino-N-[(3-chlorophenyl)methyl]-3-methyl-N-propan-2-ylbutanamide

Drug info:

PubChemData

Smile

COC1=C(C=CC(=C1)C(=O)N(CC#C)CC(F)(F)F)F

DOS

IR

Vibrations