Geometry & MOs

Info

ID:	130716
PubChem CID:	51095784
Reduced:	O3N4C17H22 (1)
Stoich.:	A3B4C17D22 (1)
Weight, g/mol:	344.184841
ΔH_f, kcal/mol:	-86.55
Dipole, Da:	6.42
IP(EA), eV:	-9.39(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[3-oxo-3-[(2-pyrazol-1-ylphenyl)methylamino]propyl]carbamate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCCNC(=O)C1=NN(C=C1)C2=CC=CC=C2

DOS

IR

Vibrations