Geometry & MOs

Info

ID:	201197
PubChem CID:	79504020
Reduced:	ON5C12H15 (1)
Stoich.:	AB5C12D15 (1)
Weight, g/mol:	212.127326
ΔH_f, kcal/mol:	12.78
Dipole, Da:	4.71
IP(EA), eV:	-8.83(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[4-(aminomethyl)-1H-pyrazol-5-yl]carbamate

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)NC(=O)NC2=C(C=NN2)CN

DOS

IR

Vibrations