Geometry & MOs

Info

ID:	271190
PubChem CID:	103647247
Reduced:	BrN2O3C16H25 (1)
Stoich.:	AB2C3D16E25 (1)
Weight, g/mol:	322.225643
ΔH_f, kcal/mol:	-138.08
Dipole, Da:	6.41
IP(EA), eV:	-8.63(0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[(4-propoxyphenyl)methylamino]propyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCCNCC1=CC(=C(C=C1)OC)Br

DOS

IR

Vibrations