Geometry & MOs

Info

ID:	347919
PubChem CID:	127272981
Reduced:	O2N4C23H28 (1)
Stoich.:	A2B4C23D28 (1)
Weight, g/mol:	350.210661
ΔH_f, kcal/mol:	-37.13
Dipole, Da:	5.99
IP(EA), eV:	-9.27(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-bicyclo[2.2.1]heptanylmethyl)pyrrolidin-1-yl]-[4-(1,2,4-triazol-4-yl)phenyl]methanone

Drug info:

PubChemData

Smile

C1CC2CC(CC(C1)C2=O)C(=O)N3CCC(CC3)C4=NC(=NN4)C5=CC=CC=C5

DOS

IR

Vibrations