Geometry & MOs

Info

ID:	303937
PubChem CID:	124490916
Reduced:	N4O4C13H20 (1)
Stoich.:	A4B4C13D20 (1)
Weight, g/mol:	275.188529
ΔH_f, kcal/mol:	-149.22
Dipole, Da:	5.85
IP(EA), eV:	-9.82(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[(E,3R)-4-methyl-1-phenylpent-1-en-3-yl]carbamate

Drug info:

PubChemData

Smile

CC1=C(N=NN1[C@@H]2CCN(C2)C(=O)OC(C)(C)C)C(=O)O

DOS

IR

Vibrations