Geometry & MOs

Info

ID:	130715
PubChem CID:	51095783
Reduced:	N2O5C17H24 (1)
Stoich.:	A2B5C17D24 (1)
Weight, g/mol:	330.169191
ΔH_f, kcal/mol:	-225.46
Dipole, Da:	4.44
IP(EA), eV:	-9.49(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[2-[(1-phenylpyrazole-3-carbonyl)amino]ethyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(OC2=C1C(=O)CCC2)C(=O)NCCNC(=O)OC(C)(C)C

DOS

IR

Vibrations