Geometry & MOs

Info

ID:	320057
PubChem CID:	126658108
Reduced:	N2O2C8H13 (2)
Stoich.:	A2B2C8D13 (2)
Weight, g/mol:	336.216141
ΔH_f, kcal/mol:	-170.1
Dipole, Da:	3.98
IP(EA), eV:	-8.77(0.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl N-[(2S)-1-[(2S)-2-(5-ethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]carbamate

Drug info:

PubChemData

Smile

CCC1=CN=C(N1)[C@@H]2CCCN2C(=O)[C@H]([C@@H](C)OC)NC(=O)OC

DOS

IR

Vibrations