Geometry & MOs

Info

ID:	443173
PubChem CID:	135257965
Reduced:	ClOF3N5C21H21 (1)
Stoich.:	ABC3D5E21F21 (1)
Weight, g/mol:	306.194343
ΔH_f, kcal/mol:	-128.43
Dipole, Da:	7.4
IP(EA), eV:	-8.94(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-(2-phenylmethoxyethyl)-N-(propan-2-ylideneamino)carbamate

Drug info:

PubChemData

Smile

CCN1CCC(CC1)N2C3=NC=C(C(=C3C=N2)Cl)C(=O)NC4=CC=C(C=C4)C(F)(F)F

DOS

IR

Vibrations