Geometry & MOs

Info

ID:	243199
PubChem CID:	99216845
Reduced:	O2N5C23H29 (1)
Stoich.:	A2B5C23D29 (1)
Weight, g/mol:	424.199822
ΔH_f, kcal/mol:	-27.76
Dipole, Da:	5.73
IP(EA), eV:	-9.27(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

phenyl 4-[(E)-3-(3-methoxy-4-propoxyphenyl)prop-2-enoyl]piperazine-1-carboxylate

Drug info:

PubChemData

Smile

CC(C)(C)N1C2=C(C=N1)[C@H](CCC2)NC(=O)C3=NN(C(=O)CC3)CC4=CC=CC=C4

DOS

IR

Vibrations