Geometry & MOs

Info

ID:	292078
PubChem CID:	114361370
Reduced:	OSN2C16H28 (1)
Stoich.:	ABC2D16E28 (1)
Weight, g/mol:	300.241293
ΔH_f, kcal/mol:	-62.02
Dipole, Da:	1.77
IP(EA), eV:	-9.22(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-(2-hydroxy-2,3-dimethylbutyl)-1,4-diazepane-1-carboxylate

Drug info:

PubChemData

Smile

CCOC1(CCC(CC1)C)C2=NC(=C(S2)CN)C(C)C

DOS

IR

Vibrations