Geometry & MOs

Info

ID:	423470
PubChem CID:	135119559
Reduced:	O2N5C21H33 (1)
Stoich.:	A2B5C21D33 (1)
Weight, g/mol:	354.157957
ΔH_f, kcal/mol:	-44.25
Dipole, Da:	6.67
IP(EA), eV:	-8.62(0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-(3-hydroxy-3-methylbut-1-ynyl)furan-2-yl]-[(3R,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methanone

Drug info:

PubChemData

Smile

CCC1=C(C=C(O1)C(=O)N(CCN(C)C)CC2=C(NC=N2)C)CN3CCCC3

DOS

IR

Vibrations