Geometry & MOs

Info

ID:	196763
PubChem CID:	78875181
Reduced:	N2O3C13H18 (1)
Stoich.:	A2B3C13D18 (1)
Weight, g/mol:	420.186064
ΔH_f, kcal/mol:	-130.22
Dipole, Da:	1.64
IP(EA), eV:	-9.29(-0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-[2-[1-[3-(difluoromethoxy)phenyl]ethylamino]-2-oxoethyl]phenyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NCCCO)NC(=O)C

DOS

IR

Vibrations