Geometry & MOs

Info

ID:	127338
PubChem CID:	50998909
Reduced:	O2N3C12H17 (1)
Stoich.:	A2B3C12D17 (1)
Weight, g/mol:	346.16166
ΔH_f, kcal/mol:	-12.15
Dipole, Da:	2.79
IP(EA), eV:	-8.81(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[N'-benzyl-N-(2,2,2-trifluoroethyl)carbamimidoyl]amino]carbamate

Drug info:

PubChemData

Smile

C1COCCN1C(C2=CC=CC=C2)/C(=N/O)/N

DOS

IR

Vibrations