Geometry & MOs

Info

ID:	71054
PubChem CID:	48414227
Reduced:	O3N4C11H18 (1)
Stoich.:	A3B4C11D18 (1)
Weight, g/mol:	282.169191
ΔH_f, kcal/mol:	-117.3
Dipole, Da:	5.21
IP(EA), eV:	-9.62(0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl N-[3-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCOC(=O)NCCC(=O)NCC1=C(NN=C1)C

DOS

IR

Vibrations