Geometry & MOs

Info

ID:	323761
PubChem CID:	126676045
Reduced:	PN3O10C25H38 (1)
Stoich.:	AB3C10D25E38 (1)
Weight, g/mol:	289.167794
ΔH_f, kcal/mol:	-515.77
Dipole, Da:	4.43
IP(EA), eV:	-9.55(-0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[(1S,2R)-2-[2-(2-methylcyclopropyl)oxyethyl]cyclopropyl]carbamate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)OC(C)CC(C)C)NP(=O)(OCC([C@H]([C@](C)(CN1C=CC(=O)NC1=O)O)O)O)OC2=CC=CC=C2

DOS

IR

Vibrations