Geometry & MOs

Info

ID:	225823
PubChem CID:	87226458
Reduced:	ON2C27H50 (1)
Stoich.:	AB2C27D50 (1)
Weight, g/mol:	203.094629
ΔH_f, kcal/mol:	-100.02
Dipole, Da:	1.64
IP(EA), eV:	-9.28(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-(aminomethylidene)-3-benzyloxolan-2-one

Drug info:

PubChemData

Smile

C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC/C(=N\O)/[C@]3(C)CCCCN)C

DOS

IR

Vibrations