Geometry & MOs

Info

ID:	323795
PubChem CID:	126676194
Reduced:	BrN2O2C9H15 (1)
Stoich.:	AB2C2D9E15 (1)
Weight, g/mol:	200.116092
ΔH_f, kcal/mol:	-75.84
Dipole, Da:	2.17
IP(EA), eV:	-8.72(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (NE)-N-[(E)-3-amino-2-(hydroxymethyl)prop-2-enylidene]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1C=C(CN1)CBr

DOS

IR

Vibrations