Geometry & MOs

Info

ID:	309208
PubChem CID:	126540302
Reduced:	O2N3C14H20 (2)
Stoich.:	A2B3C14D20 (2)
Weight, g/mol:	322.171499
ΔH_f, kcal/mol:	-154.57
Dipole, Da:	8.24
IP(EA), eV:	-9.1(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(1R,2R)-2-(cyclopropylmethylamino)cyclopropyl]-N-(oxan-4-yl)-2,3-dihydrothiophene-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)CN2CCN(CC2)C(=O)OC(C)(C)C)NC3=NC=C4COC(=O)N(C4=N3)CC(C)C

DOS

IR

Vibrations