Geometry & MOs

Info

ID:	155079
PubChem CID:	56320655
Reduced:	O3N4C25H30 (1)
Stoich.:	A3B4C25D30 (1)
Weight, g/mol:	498.28422
ΔH_f, kcal/mol:	-51.64
Dipole, Da:	6.04
IP(EA), eV:	-8.72(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[2-[[3-[(4-methoxyphenyl)methoxymethyl]phenyl]carbamoylamino]ethyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

C1CCOC(C1)COCC2=CC(=CC=C2)NC(=O)NCCC3=NN(C=C3)C4=CC=CC=C4

DOS

IR

Vibrations