Geometry & MOs

Info

ID:	45709
PubChem CID:	10516740
Reduced:	O3C17H26 (1)
Stoich.:	A3B17C26 (1)
Weight, g/mol:	278.199428
ΔH_f, kcal/mol:	-127.6
Dipole, Da:	2.19
IP(EA), eV:	-9.46(0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(2S)-4-(benzylamino)butan-2-yl]carbamate

Drug info:

PubChemData

Smile

C/C(=C\COC1CCCCO1)/C=C\C2CCC(C=C2)O

DOS

IR

Vibrations