Geometry & MOs

Info

ID:	157594
PubChem CID:	56435942
Reduced:	N3O4C23H31 (1)
Stoich.:	A3B4C23D31 (1)
Weight, g/mol:	450.299476
ΔH_f, kcal/mol:	-134.65
Dipole, Da:	6.62
IP(EA), eV:	-8.9(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methylamino]-2-oxo-1-phenylethyl]-3-methylbutanamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=NN(C(=C1)NC(=O)CCC(=O)C2=CC3=C(C=C2)OCCO3)C(C)(C)C

DOS

IR

Vibrations