Geometry & MOs

Info

ID:	294741
PubChem CID:	117487278
Reduced:	ON2C8H11 (2)
Stoich.:	AB2C8D11 (2)
Weight, g/mol:	302.174276
ΔH_f, kcal/mol:	-16.51
Dipole, Da:	4.59
IP(EA), eV:	-8.02(0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[3-(5-amino-1-methylpyrazol-3-yl)phenyl]methyl]carbamate

Drug info:

PubChemData

Smile

CN1C(=CC(=N1)C2=CC(=C(C=C2)OC)OC3CCCNC3)N

DOS

IR

Vibrations