Geometry & MOs

Info

ID:	276252
PubChem CID:	103821745
Reduced:	BrN2O2C17H27 (1)
Stoich.:	AB2C2D17E27 (1)
Weight, g/mol:	320.246378
ΔH_f, kcal/mol:	-111.01
Dipole, Da:	1.72
IP(EA), eV:	-9.18(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[(3-methyl-1-phenylbutyl)amino]propyl]carbamate

Drug info:

PubChemData

Smile

CC(CC1=CC=C(C=C1)Br)NCCCNC(=O)OC(C)(C)C

DOS

IR

Vibrations