Geometry & MOs

Info

ID:	140976
PubChem CID:	52793711
Reduced:	N3O3C23H29 (1)
Stoich.:	A3B3C23D29 (1)
Weight, g/mol:	384.204907
ΔH_f, kcal/mol:	-82.48
Dipole, Da:	4.4
IP(EA), eV:	-8.14(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-(N-methyl-4-phenoxyanilino)-4-oxobutyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)OC)N2C[C@@H](CC2=O)C(=O)N(CCN(C)C)C3=CC=CC=C3

DOS

IR

Vibrations