Geometry & MOs

Info

ID:	157854
PubChem CID:	56437620
Reduced:	N3O3C23H33 (1)
Stoich.:	A3B3C23D33 (1)
Weight, g/mol:	418.246772
ΔH_f, kcal/mol:	-119.78
Dipole, Da:	7.62
IP(EA), eV:	-9.2(-0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[[1-(2-ethoxybenzoyl)pyrrolidine-2-carbonyl]-methylamino]butanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=C(C=N2)C(=O)N(C)CCCC(=O)OC(C)(C)C)C(C)C

DOS

IR

Vibrations