Geometry & MOs

Info

ID:	310749
PubChem CID:	126587216
Reduced:	N2O5C21H24 (1)
Stoich.:	A2B5C21D24 (1)
Weight, g/mol:	278.163043
ΔH_f, kcal/mol:	-144.85
Dipole, Da:	6.66
IP(EA), eV:	-9.47(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[3-(butanoylamino)propyl]carbamate

Drug info:

PubChemData

Smile

CC1C2[C@@H](O[C@]1(C3(O2)CC3)COCC4=CC=CC=C4)N5C=C(C(=O)NC5=O)C

DOS

IR

Vibrations