Geometry & MOs

Info

ID:	76031
PubChem CID:	48424323
Reduced:	N3O5C18H19 (1)
Stoich.:	A3B5C18D19 (1)
Weight, g/mol:	322.135114
ΔH_f, kcal/mol:	-96.91
Dipole, Da:	6.17
IP(EA), eV:	-9.85(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(cyclopropylmethoxy)-1-[4-(thiophene-3-carbonyl)piperazin-1-yl]propan-1-one

Drug info:

PubChemData

Smile

COC(=O)NC(CC1=CC=CC=C1)C(=O)NCC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations