Geometry & MOs

Info

ID:	346790
PubChem CID:	127271294
Reduced:	N3O4C18H31 (1)
Stoich.:	A3B4C18D31 (1)
Weight, g/mol:	374.231791
ΔH_f, kcal/mol:	-202.76
Dipole, Da:	4.96
IP(EA), eV:	-9.37(0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-anilino-2-oxoethyl)-N-[1-(oxolan-2-yl)propan-2-yl]piperazine-1-carboxamide

Drug info:

PubChemData

Smile

CC(CC1CCCO1)NC(=O)N2CCC(CC2)C(=O)N3CCOCC3

DOS

IR

Vibrations