Geometry & MOs

Info

ID:	279744
PubChem CID:	103844971
Reduced:	BrNOC14H22 (1)
Stoich.:	ABCD14E22 (1)
Weight, g/mol:	268.189926
ΔH_f, kcal/mol:	-40.81
Dipole, Da:	1.97
IP(EA), eV:	-9.02(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[(2-ethylpyrazol-3-yl)methylamino]ethyl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)CNCCCCCOC)Br

DOS

IR

Vibrations