Geometry & MOs

Info

ID:	336046
PubChem CID:	127255053
Reduced:	FNO4H28C36 (1)
Stoich.:	ABC4D28E36 (1)
Weight, g/mol:	413.24269
ΔH_f, kcal/mol:	-12.63
Dipole, Da:	7.35
IP(EA), eV:	-8.7(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-[1-(tetrazol-1-ylmethyl)cyclohexyl]ethanone

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1[C@H]2[C@@H](N3C(C24C(=O)C5=CC=CC=C5C4=O)C=CC6=C3C=CC(=C6)F)C(=O)C7=CC=C(C=C7)C

DOS

IR

Vibrations