Geometry & MOs

Info

ID:	70814
PubChem CID:	48413906
Reduced:	BrN3O3C17H22 (1)
Stoich.:	AB3C3D17E22 (1)
Weight, g/mol:	330.169191
ΔH_f, kcal/mol:	-89.12
Dipole, Da:	3.24
IP(EA), eV:	-8.5(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-[(5-methyl-1H-pyrazol-4-yl)methylcarbamoyl]phenyl]carbamate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C(=C1)CC(=O)NCC2=C(NN=C2)C)Br)OCC

DOS

IR

Vibrations